2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one

C64H86BClF6N8O6Si2 — CID 160792187

IUPAC2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one
SMILESCC(=O)CC1CCC(c2ccc(-c3ccc(-c4nc(C(F)(F)F)n(COCC[Si](C)(C)C)n4)cn3)cc2)CC1.CC(=O)CC1CCC(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.C[Si](C)(C)CCOCn1nc(-c2ccc(Cl)nc2)nc1C(F)(F)F
InChIInChI=1S/C29H37F3N4O2Si.C21H31BO3.C14H18ClF3N4OSi/c1-20(37)17-21-5-7-22(8-6-21)23-9-11-24(12-10-23)26-14-13-25(18-33-26)27-34-28(29(30,31)32)36(35-27)19-38-15-16-39(2,3)4;1-15(23)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22-24-20(2,3)21(4,5)25-22;1-24(2,3)7-6-23-9-22-13(14(16,17)18)20-12(21-22)10-4-5-11(15)19-8-10/h9-14,18,21-22H,5-8,15-17,19H2,1-4H3;10-13,16-17H,6-9,14H2,1-5H3;4-5,8H,6-7,9H2,1-3H3
InChIKeySBYYKMLHFAJMJA-UHFFFAOYSA-N
MW1279.87 g/mol
LogP16.15
Rot. Bonds20

About 2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one

2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one (PubChem CID 160792187) has the molecular formula C64H86BClF6N8O6Si2 and a molecular weight of 1279.87 g/mol. Its IUPAC name is 2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one.

Molecular Properties

Compound Name2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one
PubChem CID160792187
Molecular FormulaC64H86BClF6N8O6Si2
Molecular Weight1279.87 g/mol
Exact Mass1278.59
IUPAC Name2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one
SMILESCC(=O)CC1CCC(c2ccc(-c3ccc(-c4nc(C(F)(F)F)n(COCC[Si](C)(C)C)n4)cn3)cc2)CC1.CC(=O)CC1CCC(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.C[Si](C)(C)CCOCn1nc(-c2ccc(Cl)nc2)nc1C(F)(F)F
InChIInChI=1S/C29H37F3N4O2Si.C21H31BO3.C14H18ClF3N4OSi/c1-20(37)17-21-5-7-22(8-6-21)23-9-11-24(12-10-23)26-14-13-25(18-33-26)27-34-28(29(30,31)32)36(35-27)19-38-15-16-39(2,3)4;1-15(23)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22-24-20(2,3)21(4,5)25-22;1-24(2,3)7-6-23-9-22-13(14(16,17)18)20-12(21-22)10-4-5-11(15)19-8-10/h9-14,18,21-22H,5-8,15-17,19H2,1-4H3;10-13,16-17H,6-9,14H2,1-5H3;4-5,8H,6-7,9H2,1-3H3
InChIKeySBYYKMLHFAJMJA-UHFFFAOYSA-N
XLogP16.15
TPSA158.26 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001279.87
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one with MolForge

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Related Compounds

2-[[5-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)-1H-1,2,4-triazol-2-ium-2-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[3-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-2-ium-5-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one
CID 157897381
Sodium;2-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;hydroxide
CID 160161848
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetate;ethyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodo-2H-pyrazolo[1,5-a]pyrimidin-2-ylium-5-yl]cyclohexyl]-2-fluoroacetate
CID 158775328
2-[[3-(6-Chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate
CID 159255378
3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane
CID 159672499

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one?
The IUPAC name of 2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one (CID 160792187) is 2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one.
What is the SMILES notation for 2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one?
The canonical SMILES for 2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one is CC(=O)CC1CCC(c2ccc(-c3ccc(-c4nc(C(F)(F)F)n(COCC[Si](C)(C)C)n4)cn3)cc2)CC1.CC(=O)CC1CCC(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.C[Si](C)(C)CCOCn1nc(-c2ccc(Cl)nc2)nc1C(F)(F)F.
What is the InChIKey of 2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one?
The InChIKey is SBYYKMLHFAJMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37F3N4O2Si.C21H31BO3.C14H18ClF3N4OSi/c1-20(37)17-21-5-7-22(8-6-21)23-9-11-24(12-10-23)26-14-13-25(18-33-26)27-34-28(29(30,31)32)36(35-27)19-38-15-16-39(2,3)4;1-15(23)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22-24-20(2,3)21(4,5)25-22;1-24(2,3)7-6-23-9-22-13(14(16,17)18)20-12(21-22)10-4-5-11(15)19-8-10/h9-14,18,21-22H,5-8,15-17,19H2,1-4H3;10-13,16-17H,6-9,14H2,1-5H3;4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one?
2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one has a molecular weight of 1279.87 g/mol, XLogP of 16.15, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one is sourced from PubChem (CID 160792187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).